NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2475 8.3149 119.9995 56.4795 34.5080 175.9443 3 I 4.1438 7.4226 121.7923 58.6419 39.2703 173.0157 4 K 3.8205 8.9691 125.6915 57.0630 33.5637 177.1342 5 H 3.9736 9.2160 123.2369 59.6777 29.3191 176.5327 6 E 3.9129 8.1022 118.4727 60.1115 29.4477 178.9211 7 H 4.4197 7.7245 114.1653 58.7013 28.7552 177.7061 8 I 3.9666 7.5367 120.7192 63.7799 36.9857 178.0578 9 R 4.1039 7.4838 117.1286 56.5842 30.0307 176.3625 *11 A 4.1860 7.8561 117.8368 51.6708 19.7869 179.1874 *13 N 4.7769 8.1575 118.6046 54.9661 40.8135 177.0756 14 A 4.1194 8.0384 120.5766 54.8075 18.7889 179.2712 15 W 4.3652 8.6411 125.0875 60.0658 30.8875 176.5376 16 A 4.6465 7.7749 117.8478 51.5754 19.0425 178.0482 17 H 4.0903 8.0070 116.2631 58.5948 29.2066 174.1310 18 P 4.3979 0.0000 0.0000 65.0698 31.9305 175.7951 19 D 4.4846 7.8905 118.2408 53.4362 40.9739 177.4391 20 G 3.7745 7.7531 109.2602 45.1962 0.0000 174.4235 21 E 3.6575 8.0755 116.2349 58.4077 29.3335 179.2910 22 K 3.9699 7.8375 118.1657 58.8252 31.9090 179.3534 23 V 3.4951 7.4589 118.4582 65.5723 31.7029 176.0826 24 P 2.9700 0.0000 0.0000 64.7871 30.8738 178.5240 25 A 3.8794 7.7636 119.1598 54.9211 18.3676 179.4857 26 A 3.9374 7.9986 119.2989 55.3252 18.4711 179.7380 27 E 3.9875 8.3939 117.2159 59.7519 29.6775 179.4487 28 I 3.8704 8.1884 120.1411 65.1012 37.2099 178.6858 29 T 4.0934 8.2283 116.3636 66.5013 68.1541 176.9036 30 R 4.0293 8.0759 119.8195 59.2443 30.1667 178.5754 31 A 4.0632 8.3474 120.2976 55.7679 18.1247 178.6091 32 Y 4.0703 8.6430 117.8123 61.5693 38.8423 178.8811 33 F 4.2821 8.7286 118.1764 60.2786 38.8097 177.6946 34 E 4.1111 8.3128 118.0797 59.0374 29.3578 178.3524 35 L 4.5336 8.2118 116.6432 53.2801 42.6333 175.1134 36 G 3.5716 7.4850 112.7036 45.5733 0.0000 173.9225 *38 T 4.3096 7.9851 113.4773 60.6317 70.8041 174.3440 39 F 4.6834 7.8748 124.0282 55.5335 41.9470 172.4181 40 P 3.2353 0.0000 0.0000 61.4674 32.0835 174.9747 41 E 4.3712 8.1525 116.5939 55.4784 30.4472 175.8076 42 L 4.6670 7.9465 121.5825 52.7345 45.4663 175.4846 43 Y 4.5536 9.3054 119.4296 57.4964 38.7844 175.7891 44 D 4.6340 8.8284 123.4579 51.9206 41.1195 176.8642 45 D 4.3854 8.2946 118.7389 56.9159 40.7173 178.0974 46 S 4.1861 8.1597 112.7054 59.9225 62.8206 173.2784 47 H 4.7439 8.5034 118.9917 54.2060 29.2683 173.8539 48 P 3.8467 0.0000 0.0000 64.9833 32.1956 176.5793 49 E 4.5329 7.4402 118.7728 56.8479 30.4956 179.1592 50 A 3.7760 7.6952 119.2516 54.3346 18.6377 179.1812 51 L 3.8557 8.0236 117.5233 58.3305 42.2251 179.1400 52 A 3.9358 7.9168 119.8631 55.2760 18.3550 179.7006 53 R 3.8423 7.9257 116.4906 59.5616 30.1948 179.1468 54 N 4.3523 8.9146 116.4684 56.2904 38.4392 177.7879 55 T 3.9194 8.0285 117.7225 66.6830 68.6266 176.8744 56 Q 3.9260 8.0004 119.9729 58.7670 28.8010 178.6941 57 K 3.2435 7.8423 119.4022 59.2572 32.0444 179.1011 58 I 3.2832 7.0521 119.5350 64.6048 37.1363 178.5372 59 F 3.9856 7.9606 117.3812 59.4256 38.6573 177.9905 60 R 3.8397 7.5881 119.0585 59.2011 29.6856 178.4039 61 W 4.4208 7.2291 117.1990 59.7017 29.0808 178.2424 62 V 3.7466 7.4604 117.1955 66.1728 31.0251 177.4703 63 E 4.1672 8.1946 117.5062 58.4618 29.7817 176.8382 64 K 4.2953 8.0875 117.4331 56.8332 32.7152 176.3098 65 D 4.7009 8.2753 114.4377 53.6052 43.1319 175.6293 66 T 4.1216 7.7712 108.8623 61.1733 70.9940 173.1375 67 P 4.2156 0.0000 0.0000 65.9323 31.2676 178.4804 68 D 4.1841 8.0160 116.0684 57.2023 41.3454 177.4724 69 A 3.8223 7.7166 120.7206 55.5450 18.4813 179.4895 70 V 3.3179 7.6229 116.1217 66.3955 31.4784 177.9254 71 E 3.9698 7.9044 118.2430 58.9349 29.2159 178.9916 72 K 3.4236 7.3533 117.9047 59.2064 32.2862 179.1642 73 I 3.8497 7.6211 120.1165 64.2438 36.9938 178.2437 74 Q 3.9618 8.0384 120.1743 59.1105 28.6462 178.1356 75 A 4.2139 7.5762 120.2474 54.2846 18.8322 178.6229 76 L 4.2080 7.7840 118.1627 56.4890 42.1796 178.4063 77 L 3.9527 7.4234 118.0771 58.0512 41.6071 177.6191 78 P 4.1865 0.0000 0.0000 65.5875 31.0996 178.5463 79 A 4.1621 7.9565 118.1087 54.8293 18.6799 179.4831 80 I 4.0126 7.8697 118.5601 64.8790 37.1053 178.5688 81 E 3.9543 8.7266 118.2409 58.7840 29.3353 178.5336 82 K 4.3165 7.7967 116.9655 57.0479 32.4572 176.9975 83 S 4.6684 7.6506 113.7146 58.5470 63.4873 171.8423 *85 P 3.9423 0.0000 0.0000 61.9427 32.2468 175.6531 86 P 4.0940 0.0000 0.0000 65.5875 31.3173 178.0510 87 L 3.9154 7.8287 118.4728 58.2055 41.8255 178.9102 88 L 3.9329 7.7015 117.6566 57.7128 41.6133 179.1984 89 V 3.5893 7.5934 116.3844 65.9633 31.5738 177.4167 90 A 4.2207 8.2223 120.7717 55.0071 18.0383 180.4942 91 R 4.4054 7.5529 116.4133 55.9752 30.4842 178.1759 *93 R 4.2140 8.0777 118.4933 55.8487 31.7681 177.3557 94 S 4.7440 7.7853 112.2430 59.9395 63.1367 175.5722 95 H 4.4044 8.0741 118.3614 57.3967 29.1414 175.9650 96 S 4.7455 7.8136 110.8043 57.7765 63.3956 173.7745 97 S 4.6252 7.6295 115.5787 56.1884 65.3671 174.5881 98 A 4.0980 8.8220 129.3468 54.9967 18.1906 178.9223 99 Y 3.9001 7.8027 118.6147 61.1149 38.9779 178.3973 100 F 3.9313 8.0770 117.9991 60.2757 39.1466 177.5842 101 R 3.9351 7.7861 118.8530 59.3475 29.8827 178.3609 102 E 3.9877 8.0257 118.4778 58.8629 29.4504 179.0058 103 L 3.7695 7.4793 120.7133 58.0704 42.1249 179.2221 104 V 3.6357 7.7162 118.1178 65.8375 31.4193 177.9189 105 E 4.0152 8.1027 118.2619 59.3137 29.1821 179.4737 106 T 3.8334 7.9978 116.1790 66.5445 68.5522 176.9273 107 R 3.8844 7.8167 117.9928 59.6148 29.2804 178.7419 108 E 3.9508 8.2157 119.2311 58.9449 29.4170 179.2755 109 R 3.9213 7.9424 119.0094 59.1380 30.1246 178.4001 110 L 3.9451 8.0856 120.5549 58.1027 42.1269 179.1213 111 V 3.6366 8.0328 118.3735 65.8434 31.3265 178.2817 112 R 3.9238 8.0533 117.9564 59.4910 30.1083 178.8184 113 D 4.4141 8.1663 118.3280 57.1862 40.8162 178.7689 114 A 4.0761 8.0767 121.5599 55.2337 18.4186 179.3001 115 D 4.4722 8.1978 117.0827 57.0537 40.9765 178.6004 116 D 4.4593 8.5000 120.0059 56.6657 40.7378 178.5513 117 F 3.7262 8.0558 121.2586 61.1894 39.4446 177.3022 118 V 3.7319 7.9356 117.5224 65.9824 31.1674 177.8045 119 A 3.9706 8.0253 120.5576 55.2418 18.1212 179.9626 120 V 3.4777 7.5842 116.0142 64.9524 31.3582 178.0599 121 A 4.1022 8.1389 120.9766 54.7864 18.4278 179.5077 122 I 3.7709 7.9441 118.3191 63.6727 37.4610 176.4414 123 A 4.3132 7.5100 122.4815 53.3602 18.8881 176.2028 124 G 4.1648 9.0649 108.9001 45.7078 0.0000 174.6536 125 F 4.4257 7.9485 120.3926 59.9036 39.8622 176.5924 126 N 4.4475 8.2951 116.6786 55.1259 38.8387 174.6355 127 Q 4.1062 7.8670 123.1311 56.0482 29.1661 174.9310 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.31 4.25 0.00 1.89 2.02 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 3 I 7.42 4.14 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.92 0.00 0.00 4 K 8.97 3.82 0.00 1.70 1.63 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.46 7.81 5 H 9.22 3.97 0.00 3.22 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.10 3.91 0.00 1.76 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 7 H 7.72 4.42 0.00 3.24 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.54 3.97 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.89 0.00 0.00 9 R 7.48 4.10 0.00 1.76 2.12 0.00 3.44 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 *11 A 7.86 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 N 8.16 4.78 0.00 2.88 2.99 0.00 0.00 6.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.04 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.64 4.37 0.00 3.42 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.77 4.65 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.01 4.09 0.00 3.31 3.48 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.40 0.00 2.25 2.07 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 19 D 7.89 4.48 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.75 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.08 3.66 0.00 1.56 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 22 K 7.84 3.97 0.00 1.72 1.80 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 23 V 7.46 3.50 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.90 0.00 0.00 24 P 0.00 2.97 0.00 1.78 0.49 0.00 3.49 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.68 0.00 25 A 7.76 3.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.00 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.39 3.99 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 28 I 8.19 3.87 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.82 0.95 0.00 0.00 29 T 8.23 4.09 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 30 R 8.08 4.03 0.00 2.26 2.09 0.00 3.37 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 31 A 8.35 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.64 4.07 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.73 4.28 0.00 3.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.31 4.11 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 35 L 8.21 4.53 0.00 1.65 1.65 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 T 7.99 4.31 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 39 F 7.87 4.68 0.00 2.90 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 3.24 0.00 1.50 0.76 0.00 3.65 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.00 41 E 8.15 4.37 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 42 L 7.95 4.67 0.00 0.99 1.35 -0.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.31 4.55 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.83 4.63 0.00 2.52 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.29 4.39 0.00 2.58 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.16 4.19 0.00 3.79 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.50 4.74 0.00 3.28 2.98 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 3.85 0.00 2.12 2.04 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 49 E 7.44 4.53 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 50 A 7.70 3.78 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.02 3.86 0.00 1.77 1.68 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.92 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.93 3.84 0.00 2.01 2.01 0.00 2.92 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 54 N 8.91 4.35 0.00 2.82 2.83 0.00 0.00 7.08 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.03 3.92 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 56 Q 8.00 3.93 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 57 K 7.84 3.24 0.00 1.46 0.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.40 7.81 58 I 7.05 3.28 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.60 0.00 0.00 59 F 7.96 3.99 0.00 3.22 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.59 3.84 0.00 1.94 1.65 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 61 W 7.23 4.42 0.00 3.56 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.46 3.75 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.60 0.00 0.00 63 E 8.19 4.17 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 64 K 8.09 4.30 0.00 1.85 1.83 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.77 1.63 7.81 65 D 8.28 4.70 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.77 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 P 0.00 4.22 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 68 D 8.02 4.18 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.72 3.82 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.62 3.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.74 0.00 0.00 71 E 7.90 3.97 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 72 K 7.35 3.42 0.00 0.88 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.57 1.07 7.81 73 I 7.62 3.85 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.11 0.92 0.00 0.00 74 Q 8.04 3.96 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 75 A 7.58 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.78 4.21 0.00 1.97 1.80 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.42 3.95 0.00 1.95 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.19 0.00 2.17 2.11 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 79 A 7.96 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.87 4.01 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 1.06 0.00 0.00 81 E 8.73 3.95 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 82 K 7.80 4.32 0.00 1.78 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.50 7.81 83 S 7.65 4.67 0.00 4.44 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 P 0.00 3.94 0.00 1.93 1.86 0.00 2.42 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 86 P 0.00 4.09 0.00 2.12 2.10 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 87 L 7.83 3.92 0.00 1.66 1.61 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.70 3.93 0.00 1.58 1.63 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.59 3.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.82 0.00 0.00 90 A 8.22 4.22 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.55 4.41 0.00 1.95 1.95 0.00 3.15 0.00 0.00 3.07 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 *93 R 8.08 4.21 0.00 1.06 1.53 0.00 2.74 0.00 0.00 2.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 94 S 7.79 4.74 0.00 3.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.07 4.40 0.00 3.12 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.81 4.75 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.63 4.63 0.00 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.82 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.80 3.90 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.08 3.93 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.79 3.94 0.00 2.14 2.12 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 102 E 8.03 3.99 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 103 L 7.48 3.77 0.00 1.50 1.63 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.72 3.64 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 105 E 8.10 4.02 0.00 2.27 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 106 T 8.00 3.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 107 R 7.82 3.88 0.00 2.08 2.36 0.00 2.80 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 108 E 8.22 3.95 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.39 0.00 109 R 7.94 3.92 0.00 2.06 2.06 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 110 L 8.09 3.95 0.00 1.82 1.84 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.03 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 112 R 8.05 3.92 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 113 D 8.17 4.41 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.08 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.20 4.47 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.50 4.46 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.06 3.73 0.00 3.43 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.94 3.73 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 119 A 8.03 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.58 3.48 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.75 0.00 0.00 121 A 8.14 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.94 3.77 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.95 0.00 0.00 123 A 7.51 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.95 4.43 0.00 3.11 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.30 4.45 0.00 2.79 2.89 0.00 0.00 6.80 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.87 4.11 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.